ChemSpider 2D Image | N-[3-(Methylsulfinyl)butyl]-3-thietanamine | C8H17NOS2

N-[3-(Methylsulfinyl)butyl]-3-thietanamine

  • Molecular FormulaC8H17NOS2
  • Average mass207.357 Da
  • Monoisotopic mass207.075150 Da
  • ChemSpider ID71047045

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Thietanamine, N-[3-(methylsulfinyl)butyl]- [ACD/Index Name]
N-[3-(Methylsulfinyl)butyl]-3-thietanamin [German] [ACD/IUPAC Name]
N-[3-(Methylsulfinyl)butyl]-3-thietanamine [ACD/IUPAC Name]
N-[3-(Méthylsulfinyl)butyl]-3-thiétanamine [French] [ACD/IUPAC Name]
1866280-34-3 [RN]
N-(3-(Methylsulfinyl)butyl)thietan-3-amine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 403.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 198.1±27.3 °C
Index of Refraction: 1.567
Molar Refractivity: 57.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.23
Polar Surface Area: 74 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 176.0±5.0 cm3

Click to predict properties on the Chemicalize site


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